3-(aminocarbonylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-methylphenyl)propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(m-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(3-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-methylphenyl)propanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(m-tolyl)-3-ureido-propionamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C27H27N5O2/c1-19-9-8-12-21(15-19)24(30-27(28)34)16-25(33)29-17-22-18-32(23-13-6-3-7-14-23)31-26(22)20-10-4-2-5-11-20/h2-15,18,24H,16-17H2,1H3,(H,29,33)(H3,28,30,34)